CID 55659

87236-21-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

C1CCC(C1)N2C=NC3=C2C4=CC=CC=C4OC3=O

InChI

InChI=1S/C15H14N2O2/c18-15-13-14(11-7-3-4-8-12(11)19-15)17(9-16-13)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2

InChIKey

VGNRXPVNAIVSPE-UHFFFAOYSA-N

Compound name

1-cyclopentylchromeno[3,4-d]imidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 254.10553 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.112806	154.0
[M+Na]+	277.094748	164.8
[M-H]-	253.098254	161.5
[M+NH4]+	272.139353	172.7
[M+K]+	293.068688	161.1
[M+H-H2O]+	237.102790	146.5
[M+HCOO]-	299.103731	174.8
[M+CH3COO]-	313.119381	167.4
[M+Na-2H]-	275.080196	158.6
[M]+	254.10498142	156.1
[M]-	254.10607858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe